2-ethyl-3,6-diiodopyridine

C7H7I2N — CID 165475351

IUPAC2-ethyl-3,6-diiodopyridine
SMILESCCc1nc(I)ccc1I
InChIInChI=1S/C7H7I2N/c1-2-6-5(8)3-4-7(9)10-6/h3-4H,2H2,1H3
InChIKeyPTHADIYVHKXXEF-UHFFFAOYSA-N
MW358.95 g/mol
LogP2.85
Rot. Bonds1

About 2-ethyl-3,6-diiodopyridine

2-ethyl-3,6-diiodopyridine (PubChem CID 165475351) has the molecular formula C7H7I2N and a molecular weight of 358.95 g/mol. Its IUPAC name is 2-ethyl-3,6-diiodopyridine.

Molecular Properties

Compound Name2-ethyl-3,6-diiodopyridine
PubChem CID165475351
Molecular FormulaC7H7I2N
Molecular Weight358.95 g/mol
Exact Mass358.87
IUPAC Name2-ethyl-3,6-diiodopyridine
SMILESCCc1nc(I)ccc1I
InChIInChI=1S/C7H7I2N/c1-2-6-5(8)3-4-7(9)10-6/h3-4H,2H2,1H3
InChIKeyPTHADIYVHKXXEF-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.95
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6-ethyl-5-iodo-2-pyridinyl)carbamic acid
CID 150133379
(3-fluoro-6-iodo-2-pyridinyl)methanamine
CID 130926038
2,5-diiodoquinolin-8-ol
CID 54548864
5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde
CID 169096110
2-ethoxy-3-fluoro-6-iodopyridine
CID 130926020
8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine
CID 114260983
5,8-dibromo-2,3-diethylquinoxaline
CID 68642538
7-ethoxy-2-iodoquinoline
CID 133063492
2-ethoxy-6-iodo-3-(trifluoromethyl)pyridine
CID 129111718
5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine
CID 70903225
4-ethyl-5-iodo-1,3-oxazole
CID 167739299
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-diiodopyridine?
The IUPAC name of 2-ethyl-3,6-diiodopyridine (CID 165475351) is 2-ethyl-3,6-diiodopyridine.
What is the SMILES notation for 2-ethyl-3,6-diiodopyridine?
The canonical SMILES for 2-ethyl-3,6-diiodopyridine is CCc1nc(I)ccc1I.
What is the InChIKey of 2-ethyl-3,6-diiodopyridine?
The InChIKey is PTHADIYVHKXXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2N/c1-2-6-5(8)3-4-7(9)10-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-3,6-diiodopyridine?
2-ethyl-3,6-diiodopyridine has a molecular weight of 358.95 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-diiodopyridine is sourced from PubChem (CID 165475351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).